CHED 479 |
| The use of a variety of computational techniques allows undergraduate research students to produce high quality research results at a low cost. In this presentation, two approaches will be contrasted: the development of computational code by the students using FORTRAN and the use of software packages such as Tinker or Spartan. Selected results will be presented from the projects of students using these methods, principally in molecular dynamics studies of alloys and in adsorption of herbicides on surfaces. These projects were carried out by a diverse student population, ranging from chemical engineering majors who transfer after their first two years of college, to science majors who stay on-site for four years. The advantages and disadvantages of the approaches used here will be discussed. |
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Computational Chemistry Investigations for Undergraduates
1:30 PM-4:55 PM, Wednesday, 13 September 2006 San Francisco Marriott -- Salon A1, Oral
Division of Chemical Education |